Sugi Predict

Sugi Predict / Compounds / SCHEMBL4537166

SCHEMBL4537166

SCHEMBL4537166

O=C(NCC1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.50
▸ EPHX1 P07099 16/20 0.47
▸ EPHX2 P34913 16/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8066384 0.95 USP30 (0.54) USP30EPHX1EPHX2
SCHEMBL4542472 0.95 USP30 (0.54) USP30EPHX1EPHX2
SCHEMBL4543056 0.89 EPHX1 (0.57) USP30EPHX1EPHX2
SCHEMBL4537568 0.87 P2RX7 (0.50) USP30EPHX2NPC1SMN1; SMN2L3MBTL1
SCHEMBL4535373 0.87 EPHX2 (0.46) EPHX1EPHX2SMN1; SMN2L3MBTL1
SCHEMBL4531267 0.87 EPHX2 (0.66) EPHX1EPHX2SMN1; SMN2
SCHEMBL4538180 0.84 KMT2A (0.44) USP30EPHX1EPHX2SMN1; SMN2
SCHEMBL4541039 0.83 EPHX1 (0.60) EPHX1EPHX2NPC1
SCHEMBL8064542 0.83 USP30 (0.48) USP30EPHX2NPC1SMN1; SMN2L3MBTL1
SCHEMBL4537470 0.81 TAS1R3 (0.46) USP30EPHX1EPHX2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 — — WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 — — WO disclosed